(4aS,12bS)-4,4,12b-Trimethyl-1,2,3,4,4a,5,6,7,12,12b-decahydrobenzo[a]anthracene-8,11-dione

(4aS,12bS)-4,4,12b-Trimethyl-1,2,3,4,4a,5,6,7,12,12b-decahydrobenzo[a]anthracene-8,11-dione

Common Name: (4aS,12bS)-4,4,12b-Trimethyl-1,2,3,4,4a,5,6,7,12,12b-decahydrobenzo[a]anthracene-8,11-dione

Synonyms: (4aS,12bS)-4,4,12b-Trimethyl-1,2,3,4,4a,5,6,7,12,12b-decahydrobenzo[a]anthracene-8,11-dione

CAS Registry Number:

InChI: InChI=1S/C21H26O2/c1-20(2)9-4-10-21(3)16-12-15-14(17(22)6-7-18(15)23)11-13(16)5-8-19(20)21/h6-7,19H,4-5,8-12H2,1-3H3/t19-,21+/m0/s1

InChIKey: InChIKey=NRALKNJRFPMWIV-PZJWPPBQSA-N

Formula: C21H26O2

Molecular Weight: 310.430723

Exact Mass: 310.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cortes, M., Valderrama, J.A., Cuellar, M., Armstrong, V., Preite, M. J Nat Prod (2001) 64, 348-9

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 36.8
2 (CH2) 18.9
3 (CH2) 41.6
4 (C) 33.3
5 (CH) 51.1
6 (CH2) 18.6
7 (CH2) 29.9
8 (C) 122.7
9 (C) 134.2
10 (C) 37.4
11 (CH2) 31.5
12 (CH2) 22.9
13 (CH3) 33.2
14 (CH3) 21.6
15 (CH3) 19.4
1' (C) 139.2
2' (C) 187.2
3' (CH) 136.1
4' (CH) 136.4
5' (C) 187
6' (C) 140.3